SCHEMBL6598909

SCHEMBL6598909

CCOC(=O)COCc1ccco1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.57
TSHR P16473 1/20 0.51
MAPT P10636 6/20 0.44
HPGD P15428 2/20 0.44
GAA P10253 1/20 0.44
TRPM8 Q7Z2W7 1/20 0.44
POLB P06746 3/20 0.43
USP2 O75604 1/20 0.43
HSD17B10 Q99714 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
HTT P42858 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MAPK1 P28482 3/20 0.43
TDP1 Q9NUW8 2/20 0.43
KDM4E B2RXH2 1/20 0.42
TP53 P04637 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
LMNA P02545 1/20 0.42
MEN1 O00255 1/20 0.42
PKM P14618 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3952345 0.85 ALDH1A1 (0.54) ALDH1A1TSHRMAPTHPGDGAA
SCHEMBL12611218 0.84 ALDH1A1 (0.56) ALDH1A1TSHRMAPTHPGDGAA
SCHEMBL1645027 0.80 ALDH1A1 (0.54) ALDH1A1TSHRMAPTHPGDTRPM8
SCHEMBL27625638 0.80 ALDH1A1 (0.64) ALDH1A1TSHRMAPTHPGDGAA
SCHEMBL8687689 0.79 ALDH1A1 (0.67) ALDH1A1TSHRMAPTHPGDTRPM8
SCHEMBL8555718 0.78 ALDH1A1 (0.56) ALDH1A1TSHRMAPTGAAPOLB
SCHEMBL64663 0.78 ALDH1A1 (0.51) ALDH1A1TSHRMAPTHPGDGAA
SCHEMBL1152092 0.77
SCHEMBL29270091 0.77 ALDH1A1 (0.54) ALDH1A1TSHRMAPTHPGDGAA
SCHEMBL151021 0.77 ALDH1A1 (0.69) ALDH1A1TSHRMAPTHPGDGAA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0888338-B1 NOVEL SUBSTITUTED N-METHYL-N-(4-(4-(1H-BENZIMIDAZOL-2-YL) 1,4]DIAZEPAN-1-YL)-2-(ARYL)BUTYL)BENZAMIDES USEFUL FOR THE TREATMENT OF ALLERGIC DISEASES AVENTIS PHARMA INC (US) 2004-11-17 EP disclosed
CN-1143856-C Novel substituted N-methyl-N-(4-(4-(1H-benzimidazol-2-yl) [1,4] diazepan-1-yl)-1-(aryl) butyl) benzamides useful for treatment of allergic diseases ���µ�˹ҩ�﹫˾ 2004-03-31 CN disclosed
CN-1115341-C Novel substituted N-methyl-N- (4- (4- (1H-benzimidazol-2-ylamino) piperidin-1-yl) -2- (aryl) butyl) benzamides for the treatment of allergic diseases AVENTIS PHARMACEUTICALS CORP (US) 2003-07-23 CN disclosed
EP-0882038-B1 SUBSTITUTED N-METHYL-N-(4-(PIPERIDIN-1-YL)-2-(ARYL)BUTYL)BENZAMIDES USEFUL FOR THE TREATMENT OF ALLERGIC DISEASES AVENTIS PHARMA INC (US) 2002-12-18 EP disclosed
CN-1096460-C Novel substituted N-methyl-N-(4-(piperidin-1-yl)-2-(aryl) butyl) benzamides useful for treatment of allergic diseases AVENTIS PHARMA INC (US) 2002-12-18 CN disclosed
EP-0888336-B1 NOVEL SUBSTITUTED N-METHYL-N-(4-(4-(1H-BENZIMIDAZOL-2-YL-AMINO)P IPERIDIN-1-YL)-2-(ARYL)BUTYL)BENZAMIDES USEFUL FOR THE TREATMENT OF ALLERGIC DISEASES AVENTIS PHARMA INC (US) 2002-08-07 EP disclosed
US-6329392-B1 ANTIALLERGENS AVENTIS PHARMACEUTICALS, INC. 2001-12-11 US disclosed
US-6297259-B1 HISTAMINE RECEPTOR ANTAGONISTS AND TACHYKININ RECEPTOR ANTAGONISTS. AVENTIS PHARMACEUTICALS INC. 2001-10-02 US disclosed
CN-1067385-C Novel substituted piperidines useful for the treatment of allergic diseases MERRELL DOW PHARMA (US) 2001-06-20 CN disclosed
US-5998439-A RESPIRATORY SYSTEM DISORDERS Hoescht Marion Roussel, Inc. (US) 1999-12-07 US disclosed
EP-0777666-B1 SUBSTITUTED PIPERIDINES USEFUL FOR THE TREATMENT OF ALLERGIC DISEASES MERRELL PHARMA INC (US) 1999-03-03 EP disclosed
EP-0888338-A1 NOVEL SUBSTITUTED N-METHYL-N-(4-(4-(1H-BENZIMIDAZOL-2-YL) 1,4]DIAZEPAN-1-YL)-2-(ARYL)BUTYL)BENZAMIDES USEFUL FOR THE TREATMENT OF ALLERGIC DISEASES HOECHST MARION ROUSSEL, INC. (US) 1999-01-07 EP disclosed
EP-0888336-A1 NOVEL SUBSTITUTED N-METHYL-N-(4-(4-(1H-BENZIMIDAZOL-2-YL-AMINO)P IPERIDIN-1-YL)-2-(ARYL)BUTYL)BENZAMIDES USEFUL FOR THE TREATMENT OF ALLERGIC DISEASES HOECHST MARION ROUSSEL, INC. (US) 1999-01-07 EP disclosed
EP-0882038-A1 NOVEL SUBSTITUTED N-METHYL-N-(4-(PIPERIDIN-1-YL)-2-(ARYL)BUTYL)BENZAMIDES USEFUL FOR THE TREATMENT OF ALLERGIC DISEASES HOECHST MARION ROUSSEL, INC. (US) 1998-12-09 EP disclosed
CN-1158612-A Novel substituted piperidines for the treatment of allergic diseases MERRELL DOW PHARMA (US) 1997-09-03 CN disclosed
WO-1997030990-A1 NOVEL SUBSTITUTED N-METHYL-N-(4-(PIPERIDIN-1-YL)-2-(ARYL)BUTYL)BENZAMIDES USEFUL FOR THE TREATMENT OF ALLERGIC DISEASES HOECHST MARION ROUSSEL, INC. (US) 1997-08-28 WO disclosed
WO-1997030989-A1 NOVEL SUBSTITUTED N-METHYL-N-(4-(4-(1H-BENZIMIDAZOL-2-YL-AMINO)PIPERIDIN-1-YL)-2-(ARYL)BUTYL)BENZAMIDES USEFUL FOR THE TREATMENT OF ALLERGIC DISEASES HOECHST MARION ROUSSEL, INC. (US) 1997-08-28 WO disclosed
WO-1997030991-A1 NOVEL SUBSTITUTED N-METHYL-N-(4-(4-(1H-BENZIMIDAZOL-2-YL)[1,4]DIAZEPAN-1-YL)-2-(ARYL)BUTYL)BENZAMIDES USEFUL FOR THE TREATMENT OF ALLERGIC DISEASES HOECHST MARION ROUSSEL, INC. (US) 1997-08-28 WO disclosed
EP-0777666-A1 NOVEL SUBSTITUTED PIPERIDINES USEFUL FOR THE TREATMENT OF ALLERGIC DISEASES MERRELL PHARMACEUTICALS INC. (US) 1997-06-11 EP disclosed
WO-1996006094-A1 NOVEL SUBSTITUTED PIPERIDINES USEFUL FOR THE TREATMENT OF ALLERGIC DISEASES MERRELL PHARMACEUTICALS INC. (US) 1996-02-29 WO disclosed